First-principles studies of multiferroic and magnetoelectric materials

被引:56
作者
Fang, Yue-Wen [1 ]
Ding, Hang-Chen [1 ]
Tong, Wen-Yi [1 ]
Zhu, Wan-Jiao [1 ]
Shen, Xin [1 ]
Gong, Shi-Jing [1 ]
Wan, Xian-Gang [2 ,3 ]
Duan, Chun-Gang [1 ,4 ]
机构
[1] E China Normal Univ, Minist Educ, Key Lab Polar Mat & Devices, Shanghai 200062, Peoples R China
[2] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China
[3] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China
[4] Chinese Acad Sci, Natl Lab Infrared Phys, Shanghai 200083, Peoples R China
基金
中国国家自然科学基金;
关键词
First-principles calculation; Multiferroic; Magnetoelectric; Ferroelectricity; Magnetism; ELECTRIC-FIELD CONTROL; MAGNETOCRYSTALLINE ANISOTROPY; AB-INITIO; FERROELECTRIC CONTROL; OPTICAL-PROPERTIES; PHASE-TRANSITION; TUNNEL-JUNCTIONS; 1ST PRINCIPLES; POLARIZATION ENHANCEMENT; TRANSPORT-PROPERTIES;
D O I
10.1007/s11434-014-0628-4
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Multiferroics are materials where two or more ferroic orders coexist owing to the interplay between spin, charge, lattice and orbital degrees of freedom. The explosive expansion of multiferroics literature in recent years demonstrates the fast growing interest in this field. In these studies, the first-principles calculation has played a pioneer role in the experiment explanation, mechanism discovery and prediction of novel multiferroics or magnetoelectric materials. In this review, we discuss, by no means comprehensively, the extensive applications and successful achievements of first-principles approach in the study of multiferroicity, magnetoelectric effect and tunnel junctions. In particular, we introduce some our recently developed methods, e.g., the orbital selective external potential method, which prove to be powerful tools in the finding of mechanisms responsible for the intriguing phenomena occurred in multiferroics or magnetoelectric materials. We also summarize first-principles studies on three types of electric control of magnetism, which is the common goal of both spintronics and multiferroics. Our review offers in depth understanding on the origin of ferroelectricity in transition metal oxides, and the coexistence of ferroelectricity and ordered magnetism, and might be helpful to explore novel multiferroic or magnetoelectric materials in the future.
引用
收藏
页码:156 / 181
页数:26
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